(2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol

C10H18F3NO2 — CID 167374985

IUPAC(2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol
SMILESC[C@H](O)COC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C10H18F3NO2/c1-7(15)6-16-9(10(11,12)13)4-2-8(14)3-5-9/h7-8,15H,2-6,14H2,1H3/t7-,8?,9?/m0/s1
InChIKeyFVDBSIOODSLVQJ-UEJVZZJDSA-N
MW241.25 g/mol
LogP1.59
Rot. Bonds3

About (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol

(2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol (PubChem CID 167374985) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol
PubChem CID167374985
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name(2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol
SMILESC[C@H](O)COC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C10H18F3NO2/c1-7(15)6-16-9(10(11,12)13)4-2-8(14)3-5-9/h7-8,15H,2-6,14H2,1H3/t7-,8?,9?/m0/s1
InChIKeyFVDBSIOODSLVQJ-UEJVZZJDSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol?
The IUPAC name of (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol (CID 167374985) is (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol.
What is the SMILES notation for (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol?
The canonical SMILES for (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol is C[C@H](O)COC1(C(F)(F)F)CCC(N)CC1.
What is the InChIKey of (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol?
The InChIKey is FVDBSIOODSLVQJ-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(15)6-16-9(10(11,12)13)4-2-8(14)3-5-9/h7-8,15H,2-6,14H2,1H3/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol?
(2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-amino-1-(trifluoromethyl)cyclohexyl]oxypropan-2-ol is sourced from PubChem (CID 167374985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).